9-chloro-4-methyl-1,2,3,4-tetrahydroacridine

C14H14ClN — CID 131881423

IUPAC9-chloro-4-methyl-1,2,3,4-tetrahydroacridine
SMILESCC1CCCc2c1nc1ccccc1c2Cl
InChIInChI=1S/C14H14ClN/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyXBWIWKJNCCOGLZ-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.33
Rot. Bonds

About 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine

9-chloro-4-methyl-1,2,3,4-tetrahydroacridine (PubChem CID 131881423) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-chloro-4-methyl-1,2,3,4-tetrahydroacridine
PubChem CID131881423
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name9-chloro-4-methyl-1,2,3,4-tetrahydroacridine
SMILESCC1CCCc2c1nc1ccccc1c2Cl
InChIInChI=1S/C14H14ClN/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyXBWIWKJNCCOGLZ-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine (CID 131881423) is 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine is CC1CCCc2c1nc1ccccc1c2Cl.
What is the InChIKey of 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine?
The InChIKey is XBWIWKJNCCOGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine?
9-chloro-4-methyl-1,2,3,4-tetrahydroacridine has a molecular weight of 231.73 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-methyl-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 131881423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).